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Journal of Medicinal Chemistry· 2013Q1

QSAR Modeling: Where Have You Been? Where Are You Going To?

Artem Cherkasov, Eugene Muratov, Denis Fourches, Alexandre Varnek et al.

Short summary

This perspective provides guidelines for developing, validating, and applying rigorously validated, externally predictive Quantitative Structure-Activity Relationship (QSAR) models, aiming to improve communication and standards in medicinal chemistry.

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Field: Computational Theory and Mathematics

Computational Theory and MathematicsComputer Science